(6-chloro-2,3-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanamine

C14H18ClF2N — CID 114275390

IUPAC(6-chloro-2,3-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanamine
SMILESCC1(C)C(C(N)c2c(Cl)ccc(F)c2F)C1(C)C
InChIInChI=1S/C14H18ClF2N/c1-13(2)12(14(13,3)4)11(18)9-7(15)5-6-8(16)10(9)17/h5-6,11-12H,18H2,1-4H3
InChIKeyDVZCBYBAJQAGMC-UHFFFAOYSA-N
MW273.75 g/mol
LogP4.30
Rot. Bonds2

About (6-chloro-2,3-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanamine

(6-chloro-2,3-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanamine (PubChem CID 114275390) has the molecular formula C14H18ClF2N and a molecular weight of 273.75 g/mol. Its IUPAC name is (6-chloro-2,3-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanamine.

Molecular Properties

Compound Name(6-chloro-2,3-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanamine
PubChem CID114275390
Molecular FormulaC14H18ClF2N
Molecular Weight273.75 g/mol
Exact Mass273.11
IUPAC Name(6-chloro-2,3-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanamine
SMILESCC1(C)C(C(N)c2c(Cl)ccc(F)c2F)C1(C)C
InChIInChI=1S/C14H18ClF2N/c1-13(2)12(14(13,3)4)11(18)9-7(15)5-6-8(16)10(9)17/h5-6,11-12H,18H2,1-4H3
InChIKeyDVZCBYBAJQAGMC-UHFFFAOYSA-N
XLogP4.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.75
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(6-chloro-2,3-difluorophenyl)ethanamine
CID 130512093
(2,5-dichlorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 66478207
3-(6-chloro-2,3-difluorophenyl)butan-1-amine
CID 130512226
(1R)-1-(3-chloro-2,6-difluorophenyl)ethanamine
CID 130707834
2-(6-chloro-2,3-difluorophenyl)propanoic acid
CID 130512139
2-amino-1-(3-chloro-2,6-difluorophenyl)propan-1-ol
CID 84687203
(2,4-difluoro-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79724121
(S)-cyclohexyl-(3,6-dichloro-2-fluorophenyl)methanamine
CID 171235278
(R)-cyclohexyl-(3,6-dichloro-2-fluorophenyl)methanamine
CID 171215645
(1R)-1-(3-chloro-2,6-difluorophenyl)propan-1-amine
CID 130713439
(S)-(6-chloro-2-fluoro-3-methylphenyl)-cyclohexylmethanamine;hydrochloride
CID 171228747
(2,6-dimethoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 105052053

Frequently Asked Questions

What is the IUPAC name of (6-chloro-2,3-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The IUPAC name of (6-chloro-2,3-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanamine (CID 114275390) is (6-chloro-2,3-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanamine.
What is the SMILES notation for (6-chloro-2,3-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The canonical SMILES for (6-chloro-2,3-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanamine is CC1(C)C(C(N)c2c(Cl)ccc(F)c2F)C1(C)C.
What is the InChIKey of (6-chloro-2,3-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The InChIKey is DVZCBYBAJQAGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF2N/c1-13(2)12(14(13,3)4)11(18)9-7(15)5-6-8(16)10(9)17/h5-6,11-12H,18H2,1-4H3.
What are the key properties of (6-chloro-2,3-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanamine?
(6-chloro-2,3-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanamine has a molecular weight of 273.75 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2,3-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanamine is sourced from PubChem (CID 114275390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).